3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione
TL;DR: 3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione (CAS 695201-97-9) is a chemical compound with molecular formula C13H16O3S and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,5,5-tetramethyl-6-thiophen-2-yloxane-2,4-dione
Also Known As: TimTec1_004927, 3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione, 3,3,5,5-tetramethyl-6-thiophen-2-yloxane-2,4-dione, A3329/0141340, 3,3,5,5-tetramethyl-6-(2-thienyl)tetrahydro-pyran-2,4-dione
| Molecular Formula | C13H16O3S |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 2.9675 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.08202 |
| Heavy Atoms | 17 |
| Complexity | 457.01895 |
Chemical Identifiers
| CAS Number | 695201-97-9 |
|---|---|
| SMILES | CC1(C(OC(=O)C(C1=O)(C)C)C2=CC=CS2)C |
Product Overview
3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione (CAS 695201-97-9), with molecular formula C13H16O3S and molecular weight 252.08 g/mol. IUPAC: 3,3,5,5-tetramethyl-6-thiophen-2-yloxane-2,4-dione.
Chemical Property Profile of 3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione
Property Insights of 3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione
The XLogP value of 2.9675 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione. With a topological polar surface area (TPSA) of 43.37 Ų, 3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione?
The CAS number of 3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione is 695201-97-9.
What is the molecular formula of 3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione?
The molecular formula of 3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione is C13H16O3S.
What is the molecular weight of 3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione?
The molecular weight of 3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione is 252.08 g/mol.
Where can I buy 3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione?
You can request a quote for 3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,3,5,5-tetramethyl-6-(thiophen-2-yl)dihydro-2H-pyran-2,4(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.